SCHEMBL13381997

SCHEMBL13381997

CN(C)C(=O)Sc1nsc(OCc2c(Cl)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CDK5 Q00535 3/20 0.35
CDK5R1 Q15078 3/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13382002 0.88 CARM1 (0.36) NPSR1HTTKMT2AALDH1A1
SCHEMBL13381968 0.87 MAOB (0.41) HTTKMT2ATDP1KDM4EALDH1A1
SCHEMBL13382007 0.86 KMT2A (0.33) KMT2ATDP1ALDH1A1LTB4RLTB4R2
SCHEMBL13381965 0.83 ALOX5 (0.45) KDM4E
SCHEMBL13381964 0.82 KMT2A (0.45) NPSR1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13382094 0.82 ALOX5 (0.39) CYP1A2CYP2C9CYP2C19ALDH1A1LTB4R
SCHEMBL13382001 0.82 PTPRC (0.42) NPSR1HTTKMT2ACYP2C19ALDH1A1
SCHEMBL13381956 0.81 TRPM8 (0.35) KMT2ACYP1A2POLBCYP2C9CYP2C19
SCHEMBL13381993 0.81 ADORA3 (0.41) HTTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL13381999 0.81 MAOB (0.39) HTTKMT2ACYP1A2CYP2C9TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 NPSR1 142/4885HTT 3261/4885KMT2A 4087/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.